AC1LCIC5
methyl 7-formyl-3-oxo-1,2,5,6-tetrahydropyrrolo[1,2-a]azepine-5-carboxylate
Also Known As: 7-Formyl-2,3,5,6-tetrahydro-3-oxo-1H-pyrrolo[1,2-a]azepine-5-carboxylic acid methyl ester|1H-Pyrrolo[1,2-a]azepine-5-carboxylic acid, 7-formyl-2,3,5,6-tetrahydro-3-oxo-, methyl ester|methyl 7-formyl-3-oxo-1,2,5,6-tetrahydropyrrolo[1,2-a]azepine-5-carboxylate|methyl 7-formyl-3-oxo-1H,2H,3H,5H,6H-pyrrolo[1,2-a]azepine-5-carboxylate|Methyl 7-formyl-3-oxo-2,3,5,6-tetrahydro-1H-pyrrolo[1,2-a]azepine-5-carboxylate|Methyl 7-formyl-3-oxo-2,3,5,6-tetrahydro-1H-pyrrolo[1,2-a]azepine-5-carboxylate #
| Molecular Formula | C12H13NO4 |
|---|---|
| Molecular Weight | 235.08446 g/mol |
| LogP | 0.1 |
| Topological Polar Surface Area | 63.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 235.08446 |
| Monoisotopic Mass | 235.08446 |
| Heavy Atoms | 17 |
| Complexity | 436.0 |
Chemical Identifiers
| CAS Number | 54833-22-6 |
|---|---|
| SMILES | COC(=O)C1CC(=CC=C2N1C(=O)CC2)C=O |
| InChIKey | DNCAGQNNRAKVLN-UHFFFAOYSA-N |
Product Overview
AC1LCIC5 (CAS 54833-22-6), with molecular formula C12H13NO4 and molecular weight 235.08446 g/mol. IUPAC: methyl 7-formyl-3-oxo-1,2,5,6-tetrahydropyrrolo[1,2-a]azepine-5-carboxylate.